2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H24N3O2S- MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2C(CCCC2C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2[C@@H](CCC[C@H]2C)C)[O-]

InChI

InChI=1S/C16H25N3O2S/c1-4-6-13-9-14(20)18-16(17-13)22-10-15(21)19-11(2)7-5-8-12(19)3/h9,11-12H,4-8,10H2,1-3H3,(H,17,18,20)/p-1/t11-,12-/m1/s1